3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol

C35H56O3Si — CID 11028057

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol
SMILESCCCCCCCCCCCCCC/C=C\OC(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H56O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-37-32(30-36)31-38-39(35(2,3)4,33-25-20-18-21-26-33)34-27-22-19-23-28-34/h18-29,32,36H,5-17,30-31H2,1-4H3/b29-24-
InChIKeyXFYHVONKJFIURE-OLFWJLLRSA-N
MW552.92 g/mol
LogP8.55
Rot. Bonds21

About 3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol

3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol (PubChem CID 11028057) has the molecular formula C35H56O3Si and a molecular weight of 552.92 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol
PubChem CID11028057
Molecular FormulaC35H56O3Si
Molecular Weight552.92 g/mol
Exact Mass552.40
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol
SMILESCCCCCCCCCCCCCC/C=C\OC(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H56O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-37-32(30-36)31-38-39(35(2,3)4,33-25-20-18-21-26-33)34-27-22-19-23-28-34/h18-29,32,36H,5-17,30-31H2,1-4H3/b29-24-
InChIKeyXFYHVONKJFIURE-OLFWJLLRSA-N
XLogP8.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.92
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
2-hex-1-enoxy-3-trityloxypropan-1-ol
CID 90954826
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-2-amine
CID 71619847
tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
CID 135032541
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol
CID 159347963
(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol
CID 56652865

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol (CID 11028057) is 3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol is CCCCCCCCCCCCCC/C=C\OC(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol?
The InChIKey is XFYHVONKJFIURE-OLFWJLLRSA-N. The full InChI is InChI=1S/C35H56O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-37-32(30-36)31-38-39(35(2,3)4,33-25-20-18-21-26-33)34-27-22-19-23-28-34/h18-29,32,36H,5-17,30-31H2,1-4H3/b29-24-.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol?
3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol has a molecular weight of 552.92 g/mol, XLogP of 8.55, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol is sourced from PubChem (CID 11028057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).